BDBM50209079 CHEMBL3885363

SMILES: CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(cc3)S(C)(=O)=O)nc12

InChI Key: InChIKey=VKFAPZMMAANQCB-LBPRGKRZSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209079   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase c-TAK1 (Homo sapiens (Human))	BDBM50209079 (CHEMBL3885363) Show SMILES CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(cc3)S(C)(=O)=O)nc12 |r| Show InChI InChI=1S/C19H24N4O3S/c1-6-12(2)23-16-15(19(3,4)17(23)24)11-20-18(22-16)21-13-7-9-14(10-8-13)27(5,25)26/h7-12H,6H2,1-5H3,(H,20,21,22)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of MARK3 (unknown origin)				Bioorg Med Chem Lett 27: 109-113 (2017) Article DOI: 10.1016/j.bmcl.2016.08.066 BindingDB Entry DOI: 10.7270/Q20867B1
					More data for this Ligand-Target Pair